This is the phonopy module.

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  • License: Copyright (c) 2014-2024, Phonopy. All rights reserved. Redistribution and use in source and binary ...
  • Author: Atsushi Togo
  • Requires: Python >=3.8
  • Provides-Extra: cp2k, seekpath, symfc, pypolymlp, tools

Project description

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Phonopy

Phonon code mainly written in python. Phonopy user documentation is found at http://phonopy.github.io/phonopy/

Installation

See https://phonopy.github.io/phonopy/install.html.

Dependency

See requirements.txt. Optionally symfc, scipy and seekpath are required for using additional features.

Mailing list for questions

Usual phonopy questions should be sent to phonopy mailing list (https://sourceforge.net/p/phonopy/mailman/).

Development

The development of phonopy is managed on the develop branch of github phonopy repository.

  • Github issues is the place to discuss about phonopy issues.
  • Github pull request is the place to request merging source code.

Formatting

Formatting rules are found in pyproject.toml.

pre-commit

Pre-commit (https://pre-commit.com/) is mainly used for applying the formatting rules automatically. Therefore, it is strongly encouraged to use it at or before git-commit. Pre-commit is set-up and used in the following way:

  • Installed by pip install pre-commit, conda install pre_commit or see https://pre-commit.com/#install.
  • pre-commit hook is installed by pre-commit install.
  • pre-commit hook is run by pre-commit run --all-files.

Unless running pre-commit, pre-commit.ci may push the fix at PR by github action. In this case, the fix should be merged by the contributor's repository.

VSCode setting

  • Not strictly, but VSCode's settings.json may be written like below

    "ruff.lint.args": [
    "--config=${workspaceFolder}/pyproject.toml",
],
"[python]": {
    "editor.defaultFormatter": "charliermarsh.ruff",
    "editor.codeActionsOnSave": {
        "source.organizeImports": "explicit"
    }
},

Documentation

Phonopy user documentation is written using python sphinx. The source files are stored in doc directory. Please see how to write the documentation at doc/README.md.

How to run tests

Tests are written using pytest. To run tests, pytest has to be installed. The tests can be run by

% pytest

Project details

Verified details

These details have been verified by PyPI
Maintainers
Avatar for atztogo from gravatar.com atztogo Avatar for jochym from gravatar.com jochym Avatar for lan496 from gravatar.com lan496

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: Copyright (c) 2014-2024, Phonopy. All rights reserved. Redistribution and use in source and binary ...
  • Author: Atsushi Togo
  • Requires: Python >=3.8
  • Provides-Extra: cp2k, seekpath, symfc, pypolymlp, tools

Release history Release notifications | RSS feed

2.30.1

2.30.0

2.29.1

2.29.0

2.28.0

2.27.0

2.26.7

2.26.6

2.26.5

2.26.4

2.26.3

This version

2.26.2

2.26.1

2.26.0

2.25.0

2.24.3

2.24.2.post1

2.24.2

2.24.1

2.24.0

2.23.1

2.23.0

2.22.1

2.22.0

2.21.2

2.21.1

2.21.0

2.20.0

2.19.1

2.19.0

2.18.0

2.17.2

2.17.1

2.17.0

2.16.3

2.16.2.post1

2.16.2

2.16.1

2.16.0

2.15.1

2.15.0

2.14.0

2.13.1

2.13.0

2.12.0

2.11.0

2.10.0

2.9.3

2.9.2

2.9.1.post5

2.9.1

2.9.0

2.8.1

2.8.0

2.7.1

2.7.0

2.6.1

2.6.0

2.5.0

2.4.2

2.4.1.post5

2.4.1

2.4.0.post9

2.4.0.post5

2.3.2.post11

2.3.2

2.3.0.post5

2.3.0

2.2.0

2.1.4

2.1.3

2.1.2

2.1.1

2.1.0

2.0.0

1.14.2

1.14.0

1.13.2.107

1.13.2.36

1.13.2.32

1.13.2.13

1.13.2

1.13.0.64

1.13.0.61

1.13.0.55

1.13.0.52

1.13.0.49

1.13.0.44

1.13.0.28

1.13.0.16

1.13.0.4

1.12.8.4

1.12.8

1.12.6.66

1.12.6.59

1.12.6.53

1.12.6.50

1.12.6.32

1.12.6.26

1.12.6.15

1.12.6.8

1.12.6.3

1.12.6

1.12.4.24

1.12.4.11

1.12.4.8

1.12.4

1.12.2.20

1.12.2.13

1.12.2.12

1.12.2.5

1.12.2

1.12.0.13

1.12.0.9

1.12.0

1.11.14.1

1.11.14

1.11.12.121

1.11.12.112

1.11.12.106

1.11.12.105

1.11.12.92

1.11.12.79

1.11.12.73

1.11.12.67

1.11.12.61

1.11.12.56

1.11.12.53

1.11.12.31

1.11.12.28

1.11.12.20

1.11.12.19

1.11.12.18

1.11.12.15

1.11.12.5

1.11.12

1.11.10.89

1.11.10.81

1.11.10.74

1.11.10.66

1.11.10.59

1.11.10.40

1.11.10.33

1.11.10.30

1.11.10.27

1.11.10.22

1.11.10.15

1.11.10.11

1.11.10.4

1.11.8.20

1.11.8.16

1.11.8.13

1.11.8.9

1.11.8.5

1.11.8

1.11.6.20

1.11.6.7

1.11.6

1.11.2.97

1.11.2.82

1.11.2.80

1.11.2.78

1.11.2.77

1.11.2.75

1.11.2.72

1.11.2.70

1.11.2.67

1.11.2.56

1.11.2.25

1.11.2.7

1.11.2

1.10.8

1.10.4.50

1.10.4.46

1.10.4.40

1.10.4.36

1.10.4.35

1.10.4.34

1.10.4.24

1.10.2.23

1.10.1

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